CID 454615

148797-21-1

Structural Information

Molecular Formula
C20H30F2N2O4Si
SMILES
CC(C)(C)OC(=O)N[C@@H](C[Si](C)(C)C)C(=O)C(C(=O)NCC1=CC=CC=C1)(F)F
InChI
InChI=1S/C20H30F2N2O4Si/c1-19(2,3)28-18(27)24-15(13-29(4,5)6)16(25)20(21,22)17(26)23-12-14-10-8-7-9-11-14/h7-11,15H,12-13H2,1-6H3,(H,23,26)(H,24,27)/t15-/m0/s1
InChIKey
DOUQHHUDEOWPSM-HNNXBMFYSA-N
Compound name
tert-butyl N-[(2R)-5-(benzylamino)-4,4-difluoro-3,5-dioxo-1-trimethylsilylpentan-2-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

428.1943 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 429.20158 198.2
[M+Na]+ 451.18352 199.7
[M-H]- 427.18702 197.8
[M+NH4]+ 446.22812 207.6
[M+K]+ 467.15746 198.7
[M+H-H2O]+ 411.19156 189.6
[M+HCOO]- 473.19250 211.4
[M+CH3COO]- 487.20815 230.2
[M+Na-2H]- 449.16897 198.6
[M]+ 428.19375 197.7
[M]- 428.19485 197.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.